3-thiophen-2-yl-5-(2,4,6-trifluorophenyl)-2,3-dihydro-1H-pyrazole

C13H9F3N2S — CID 70020647

IUPAC3-thiophen-2-yl-5-(2,4,6-trifluorophenyl)-2,3-dihydro-1H-pyrazole
SMILESFc1cc(F)c(C2=CC(c3cccs3)NN2)c(F)c1
InChIInChI=1S/C13H9F3N2S/c14-7-4-8(15)13(9(16)5-7)11-6-10(17-18-11)12-2-1-3-19-12/h1-6,10,17-18H
InChIKeyGVJPCZKSZBLOQB-UHFFFAOYSA-N
MW282.29 g/mol
LogP3.36
Rot. Bonds2

About 3-thiophen-2-yl-5-(2,4,6-trifluorophenyl)-2,3-dihydro-1H-pyrazole

3-thiophen-2-yl-5-(2,4,6-trifluorophenyl)-2,3-dihydro-1H-pyrazole (PubChem CID 70020647) has the molecular formula C13H9F3N2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 3-thiophen-2-yl-5-(2,4,6-trifluorophenyl)-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-thiophen-2-yl-5-(2,4,6-trifluorophenyl)-2,3-dihydro-1H-pyrazole
PubChem CID70020647
Molecular FormulaC13H9F3N2S
Molecular Weight282.29 g/mol
Exact Mass282.04
IUPAC Name3-thiophen-2-yl-5-(2,4,6-trifluorophenyl)-2,3-dihydro-1H-pyrazole
SMILESFc1cc(F)c(C2=CC(c3cccs3)NN2)c(F)c1
InChIInChI=1S/C13H9F3N2S/c14-7-4-8(15)13(9(16)5-7)11-6-10(17-18-11)12-2-1-3-19-12/h1-6,10,17-18H
InChIKeyGVJPCZKSZBLOQB-UHFFFAOYSA-N
XLogP3.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-5-(2,4,6-trifluorophenyl)-2,3-dihydro-1H-pyrazole?
The IUPAC name of 3-thiophen-2-yl-5-(2,4,6-trifluorophenyl)-2,3-dihydro-1H-pyrazole (CID 70020647) is 3-thiophen-2-yl-5-(2,4,6-trifluorophenyl)-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 3-thiophen-2-yl-5-(2,4,6-trifluorophenyl)-2,3-dihydro-1H-pyrazole?
The canonical SMILES for 3-thiophen-2-yl-5-(2,4,6-trifluorophenyl)-2,3-dihydro-1H-pyrazole is Fc1cc(F)c(C2=CC(c3cccs3)NN2)c(F)c1.
What is the InChIKey of 3-thiophen-2-yl-5-(2,4,6-trifluorophenyl)-2,3-dihydro-1H-pyrazole?
The InChIKey is GVJPCZKSZBLOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2S/c14-7-4-8(15)13(9(16)5-7)11-6-10(17-18-11)12-2-1-3-19-12/h1-6,10,17-18H.
What are the key properties of 3-thiophen-2-yl-5-(2,4,6-trifluorophenyl)-2,3-dihydro-1H-pyrazole?
3-thiophen-2-yl-5-(2,4,6-trifluorophenyl)-2,3-dihydro-1H-pyrazole has a molecular weight of 282.29 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-5-(2,4,6-trifluorophenyl)-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 70020647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).